SCHEMBL19638401

SCHEMBL19638401

CCOC(=O)CCCCBr.[Zn]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.59
ALDH1A1 P00352 3/20 0.56
TRPA1 O75762 1/20 0.56
ALOX15 P16050 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 2/20 0.49
TSHR P16473 1/20 0.49
HSD17B10 Q99714 1/20 0.49
DGKA P23743 1/20 0.48
GAA P10253 2/20 0.48
MGAM O43451 1/20 0.48
SI P14410 1/20 0.48
MGAM2 Q2M2H8 1/20 0.48
NR1I2 O75469 1/20 0.47
PGR P06401 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
PTGS2 P35354 1/20 0.47
PDE4D Q08499 1/20 0.47
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19638363 0.98 CYP1A2 (0.57) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL282083 0.98 CYP1A2 (0.61) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL3862786 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL7034021 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL52706 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL24597734 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL47126 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL1703446 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL1005765 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1
SCHEMBL318062 0.95 CYP1A2 (0.59) CYP1A2ALDH1A1TRPA1ALOX15TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10577460-B2 Method for producing polyester NIPPON SODA CO., LTD. (JP) 2020-03-03 US disclosed
US-20180022867-A1 METHOD FOR PRODUCING POLYESTER NIPPON SODA CO., LTD. (JP) 2018-01-25 US disclosed
EP-3248998-A1 METHOD FOR PRODUCING POLYESTER Nippon Soda Co., Ltd. (JP) 2017-11-29 EP disclosed